K2Li12Te7
Alexandria ALEXAlex-ID: agm005673329 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
KLiTe Li2Te
2023-06-21 07:36:31.373108
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673329).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005673329
data_agm005673329
_cell_length_a 4.51315
_cell_length_b 11.37501
_cell_length_c 11.37502
_cell_angle_alpha 120.00001
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00000
_cell_volume 505.72532
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.25540 0.33333 0.66667 1.00000
K2 K 0.74460 0.66667 0.33333 1.00000
Li1 Li 0.25136 0.62353 0.05336 1.00000
Li2 Li 0.25136 0.42984 0.37647 1.00000
Li3 Li 0.25136 0.94663 0.57016 1.00000
Li4 Li 0.74864 0.37647 0.94664 1.00000
Li5 Li 0.74864 0.57016 0.62353 1.00000
Li6 Li 0.74864 0.05337 0.42984 1.00000
Li7 Li 0.26034 0.11572 0.25426 1.00000
Li8 Li 0.26034 0.13854 0.88428 1.00000
Li9 Li 0.26034 0.74574 0.86146 1.00000
Li10 Li 0.73966 0.88428 0.74574 1.00000
Li11 Li 0.73966 0.86146 0.11572 1.00000
Li12 Li 0.73966 0.25426 0.13854 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Te2 Te 0.24274 0.89040 0.29627 1.00000
Te3 Te 0.24274 0.40586 0.10960 1.00000
Te4 Te 0.24274 0.70373 0.59414 1.00000
Te5 Te 0.75726 0.10960 0.70373 1.00000
Te6 Te 0.75726 0.59414 0.89040 1.00000
Te7 Te 0.75726 0.29627 0.40586 1.00000
